Nb2Tl2Te6Pd
Alexandria ALEXAlex-ID: agm004587733 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D6_25_spg12
NbTe3Pd2 Tl2Te NbTe2 TlTe3Pd2
2022-06-24 05:02:01.033365
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004587733).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm004587733
data_agm004587733
_cell_length_a 6.91891
_cell_length_b 6.91891
_cell_length_c 8.65395
_cell_angle_alpha 95.96818
_cell_angle_beta 95.96818
_cell_angle_gamma 121.74361
_cell_volume 344.17383
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb1 Nb 0.37154 0.62846 0.50000 1.00000
Nb2 Nb 0.62846 0.37154 0.50000 1.00000
Tl1 Tl 0.80325 0.19675 0.00000 1.00000
Tl2 Tl 0.19675 0.80325 0.00000 1.00000
Te1 Te 0.74756 0.74756 0.72528 1.00000
Te2 Te 0.02672 0.38726 0.67426 1.00000
Te3 Te 0.25244 0.25244 0.27472 1.00000
Te4 Te 0.38726 0.02672 0.67426 1.00000
Te5 Te 0.97328 0.61274 0.32574 1.00000
Te6 Te 0.61274 0.97328 0.32574 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
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